1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one

C15H19NO2 — CID 55177462

IUPAC1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
SMILESCCc1ccc(C(=O)CN2CC(C)CC2=O)cc1
InChIInChI=1S/C15H19NO2/c1-3-12-4-6-13(7-5-12)14(17)10-16-9-11(2)8-15(16)18/h4-7,11H,3,8-10H2,1-2H3
InChIKeySKKNQURDWNBTMT-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.30
Rot. Bonds4

About 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one

1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one (PubChem CID 55177462) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
PubChem CID55177462
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
SMILESCCc1ccc(C(=O)CN2CC(C)CC2=O)cc1
InChIInChI=1S/C15H19NO2/c1-3-12-4-6-13(7-5-12)14(17)10-16-9-11(2)8-15(16)18/h4-7,11H,3,8-10H2,1-2H3
InChIKeySKKNQURDWNBTMT-UHFFFAOYSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one
CID 63102645
4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 63581482
1-ethyl-4-[2-(4-ethylphenyl)-2-oxoethyl]piperazine-2,3-dione
CID 62016939
1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63104444
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
1-[2-(4-ethylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62023043
1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102277
1-[2-amino-2-(4-ethylphenyl)ethyl]-4-methylpyrrolidin-2-one
CID 63104245
4-tert-butyl-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512255
1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102449
4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one
CID 63102458
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one (CID 55177462) is 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one is CCc1ccc(C(=O)CN2CC(C)CC2=O)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
The InChIKey is SKKNQURDWNBTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-12-4-6-13(7-5-12)14(17)10-16-9-11(2)8-15(16)18/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 55177462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).